4,6-dimethyl-2-(pyrrolidin-2-yl)pyrimidine

• ChemBase ID: 63065
• Molecular Formular: C10H15N3
• Molecular Mass: 177.2462
• Monoisotopic Mass: 177.1265975
• SMILES: c1(nc(cc(n1)C)C)C1NCCC1
• Canonical SMILES: Cc1cc(C)nc(n1)C1CCCN1
• InChI: InChI=1S/C10H15N3/c1-7-6-8(2)13-10(12-7)9-4-3-5-11-9/h6,9,11H,3-5H2,1-2H3
• InChIKey: FQXURXCPCNLDLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dimethyl-2-(pyrrolidin-2-yl)pyrimidine
• IUPAC Traditional name: 4,6-dimethyl-2-(pyrrolidin-2-yl)pyrimidine
• Synonyms: 4,6-Dimethyl-2-pyrrolidin-2-yl-pyrimidine

Database IDs

• MDL Number: MFCD18329760
• PubChem SID: 162028804
• PubChem CID: 63317274

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7430333
• LogD (pH = 7.4): -0.0010400754
• Log P: 0.9883714
• Molar Refractivity: 51.9503 cm^3
• Polarizability: 20.227066 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false